2-dimethylaminoethyl-[[1-(6-methoxypyridin-3-yl)pyrrol-2-yl]methyl]-(phenylmethyl)azanium

Systemtic Name: 2-dimethylaminoethyl-[[1-(6-methoxypyridin-3-yl)pyrrol-2-yl]methyl]-(phenylmethyl)azanium Openeye Name: benzyl-(2-dimethylaminoethyl)-[[1-(6-methoxy-3-pyridyl)pyrrol-2-yl]methyl]ammonium CAS Name: 2-dimethylaminoethyl-[[1-(6-methoxy-3-pyridinyl)-2-pyrrolyl]methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(2-dimethylaminoethyl)-[[1-(6-methoxypyridin-3-yl)pyrrol-2-yl]methyl]azanium Traditional Name: benzyl-(2-dimethylaminoethyl)-[[1-(6-methoxy-3-pyridyl)pyrrol-2-yl]methyl]ammonium Formula: C22H29N4O+ MolecularWeight: 365.49186

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC[NH+](CC1=CC=CC=C1)CC2=CC=CN2C3=CN=C(C=C3)OC

Isomeric SMILES

CN(C)CC[NH+](CC1=CC=CC=C1)CC2=CC=CN2C3=CN=C(C=C3)OC

InChI

InChI=1S/C22H28N4O/c1-24(2)14-15-25(17-19-8-5-4-6-9-19)18-21-10-7-13-26(21)20-11-12-22(27-3)23-16-20/h4-13,16H,14-15,17-18H2,1-3H3/p+1